SCHEMBL4335291

SCHEMBL4335291

CCOC(=O)CCNCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.41
LTA4H P09960 3/20 0.40
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RECQL P46063 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL837763 0.92 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL19102485 0.88 GAA (0.52) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL10667342 0.85 TSHR (0.57) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL4464939 0.85 GAA (0.59) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL7429768 0.84 GAA (0.48) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL12939654 0.83 GAA (0.52) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL20434004 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AGAA
Hydrochloric Acid SCHEMBL11851530 0.83 GAA (0.56) ALDH1A1MAPTHPGDKMT2AGAA
Hydrochloric Acid SCHEMBL15654082 0.83 TSHR (0.55) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL13756031 0.83 GAA (0.56) ALDH1A1MAPTHPGDKMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
EP-3071569-A1 TETRACYCLIC AUTOTAXIN INHIBITORS Pharmakea Inc. (US) 2016-09-28 EP disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 WO disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 WO disclosed
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ALDH1A1 4813/4885MAPT 476/4885HPGD 4117/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ALDH1A1 4813/4885MAPT 476/4885HPGD 4117/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2940/4885MAPT 2763/4885HPGD 2398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.